N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide

C22H26N6O — CID 13499577

IUPACN-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESN#Cc1c(NC(=O)N2CCCCC2)nc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C22H26N6O/c23-16-18-19(17-10-4-1-5-11-17)24-21(27-12-6-2-7-13-27)25-20(18)26-22(29)28-14-8-3-9-15-28/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,24,25,26,29)
InChIKeyMQDMOPMGPSOCTI-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.02
Rot. Bonds3

About N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide

N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 13499577) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID13499577
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide
SMILESN#Cc1c(NC(=O)N2CCCCC2)nc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C22H26N6O/c23-16-18-19(17-10-4-1-5-11-17)24-21(27-12-6-2-7-13-27)25-20(18)26-22(29)28-14-8-3-9-15-28/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,24,25,26,29)
InChIKeyMQDMOPMGPSOCTI-UHFFFAOYSA-N
XLogP4.02
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide (CID 13499577) is N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide is N#Cc1c(NC(=O)N2CCCCC2)nc(N2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is MQDMOPMGPSOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-16-18-19(17-10-4-1-5-11-17)24-21(27-12-6-2-7-13-27)25-20(18)26-22(29)28-14-8-3-9-15-28/h1,4-5,10-11H,2-3,6-9,12-15H2,(H,24,25,26,29).
What are the key properties of N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide?
N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-phenyl-2-piperidin-1-ylpyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 13499577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).